4-methylbenzenesulfonic acid; N-(4-phenylpiperidin-4-yl)morpholine-4-carboxamide; hydrate

Systemtic Name: 4-methylbenzenesulfonic acid; N-(4-phenylpiperidin-4-yl)morpholine-4-carboxamide; hydrate Openeye Name: 4-methylbenzenesulfonic acid; N-(4-phenyl-4-piperidyl)morpholine-4-carboxamide; hydrate CAS Name: 4-methylbenzenesulfonic acid; N-(4-phenyl-4-piperidinyl)-4-morpholinecarboxamide; hydrate IUPAC Name: 4-methylbenzenesulfonic acid; N-(4-phenylpiperidin-4-yl)morpholine-4-carboxamide; hydrate Traditional Name: N-(4-phenyl-4-piperidyl)morpholine-4-carboxamide; tosylic acid; hydrate Formula: C23H33N3O6S MolecularWeight: 479.58962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CNCCC1(C2=CC=CC=C2)NC(=O)N3CCOCC3.O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CNCCC1(C2=CC=CC=C2)NC(=O)N3CCOCC3.O

InChI

InChI=1S/C16H23N3O2.C7H8O3S.H2O/c20-15(19-10-12-21-13-11-19)18-16(6-8-17-9-7-16)14-4-2-1-3-5-14;1-6-2-4-7(5-3-6)11(8,9)10;/h1-5,17H,6-13H2,(H,18,20);2-5H,1H3,(H,8,9,10);1H2